USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot -97:sc= -5.92! USER MOD Set 1.2: A 50 MET CE :methyl -139:sc= -3.15! (180deg=-2.7!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0941 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 62:sc= 0.159 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.312 K(o=-0.31,f=-3.1!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 23 THR OG1 : rot -82:sc= 0.0645 USER MOD Single : A 24 THR OG1 : rot 96:sc= 0.313 USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.694! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 36 MET CE :methyl 168:sc= -1.5 (180deg=-2.53) USER MOD Single : A 41 ASN : amide:sc= -0.481 K(o=-0.48,f=-2) USER MOD Single : A 42 ASN : amide:sc= -0.554 K(o=-0.55,f=-2.9!) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.569 F(o=-2.7,f=-0.57) USER MOD Single : A 46 MET CE :methyl -173:sc= -0.0302 (180deg=-0.169) USER MOD Single : A 49 THR OG1 : rot 87:sc= 0.35 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 38:sc= 0.78 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.963 -13.142 -0.780 1.00 0.00 N ATOM 2 CA GLY A 1 -28.011 -13.309 -1.865 1.00 0.00 C ATOM 3 C GLY A 1 -26.763 -12.453 -1.636 1.00 0.00 C ATOM 4 O GLY A 1 -26.524 -11.983 -0.525 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.247 -14.076 -0.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.522 -12.595 -0.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.802 -12.635 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.727 -14.358 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.478 -13.031 -2.810 1.00 0.00 H new ATOM 8 N SER A 2 -26.001 -12.278 -2.706 1.00 0.00 N ATOM 9 CA SER A 2 -24.784 -11.487 -2.635 1.00 0.00 C ATOM 10 C SER A 2 -23.793 -12.136 -1.667 1.00 0.00 C ATOM 11 O SER A 2 -24.195 -12.715 -0.658 1.00 0.00 O ATOM 12 CB SER A 2 -25.085 -10.051 -2.204 1.00 0.00 C ATOM 13 OG SER A 2 -23.918 -9.232 -2.222 1.00 0.00 O ATOM 0 H SER A 2 -26.203 -12.670 -3.626 1.00 0.00 H new ATOM 0 HA SER A 2 -24.340 -11.453 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.838 -9.624 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.509 -10.055 -1.200 1.00 0.00 H new ATOM 0 HG SER A 2 -24.152 -8.322 -1.942 1.00 0.00 H new ATOM 19 N SER A 3 -22.518 -12.017 -2.006 1.00 0.00 N ATOM 20 CA SER A 3 -21.467 -12.585 -1.179 1.00 0.00 C ATOM 21 C SER A 3 -20.100 -12.313 -1.810 1.00 0.00 C ATOM 22 O SER A 3 -19.599 -13.124 -2.587 1.00 0.00 O ATOM 23 CB SER A 3 -21.672 -14.089 -0.984 1.00 0.00 C ATOM 24 OG SER A 3 -21.469 -14.484 0.370 1.00 0.00 O ATOM 0 H SER A 3 -22.189 -11.535 -2.843 1.00 0.00 H new ATOM 0 HA SER A 3 -21.509 -12.110 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.681 -14.361 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.983 -14.635 -1.628 1.00 0.00 H new ATOM 0 HG SER A 3 -21.611 -15.450 0.454 1.00 0.00 H new ATOM 30 N GLY A 4 -19.536 -11.168 -1.452 1.00 0.00 N ATOM 31 CA GLY A 4 -18.237 -10.779 -1.973 1.00 0.00 C ATOM 32 C GLY A 4 -17.837 -9.391 -1.469 1.00 0.00 C ATOM 33 O GLY A 4 -18.361 -8.918 -0.461 1.00 0.00 O ATOM 0 H GLY A 4 -19.955 -10.498 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.487 -11.510 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.263 -10.781 -3.063 1.00 0.00 H new ATOM 37 N SER A 5 -16.914 -8.777 -2.194 1.00 0.00 N ATOM 38 CA SER A 5 -16.438 -7.452 -1.833 1.00 0.00 C ATOM 39 C SER A 5 -17.329 -6.384 -2.471 1.00 0.00 C ATOM 40 O SER A 5 -17.036 -5.899 -3.563 1.00 0.00 O ATOM 41 CB SER A 5 -14.983 -7.254 -2.260 1.00 0.00 C ATOM 42 OG SER A 5 -14.388 -6.127 -1.622 1.00 0.00 O ATOM 0 H SER A 5 -16.483 -9.172 -3.030 1.00 0.00 H new ATOM 0 HA SER A 5 -16.486 -7.355 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.410 -8.150 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.937 -7.125 -3.341 1.00 0.00 H new ATOM 0 HG SER A 5 -13.459 -6.035 -1.920 1.00 0.00 H new ATOM 48 N SER A 6 -18.397 -6.049 -1.763 1.00 0.00 N ATOM 49 CA SER A 6 -19.332 -5.047 -2.247 1.00 0.00 C ATOM 50 C SER A 6 -20.466 -4.858 -1.237 1.00 0.00 C ATOM 51 O SER A 6 -21.550 -5.415 -1.405 1.00 0.00 O ATOM 52 CB SER A 6 -19.898 -5.437 -3.614 1.00 0.00 C ATOM 53 OG SER A 6 -19.409 -4.595 -4.654 1.00 0.00 O ATOM 0 H SER A 6 -18.636 -6.453 -0.858 1.00 0.00 H new ATOM 0 HA SER A 6 -18.795 -4.105 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.637 -6.472 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.986 -5.382 -3.585 1.00 0.00 H new ATOM 0 HG SER A 6 -18.435 -4.682 -4.714 1.00 0.00 H new ATOM 59 N GLY A 7 -20.176 -4.071 -0.211 1.00 0.00 N ATOM 60 CA GLY A 7 -21.158 -3.802 0.825 1.00 0.00 C ATOM 61 C GLY A 7 -21.594 -2.336 0.800 1.00 0.00 C ATOM 62 O GLY A 7 -22.668 -2.012 0.297 1.00 0.00 O ATOM 0 H GLY A 7 -19.276 -3.611 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.026 -4.446 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.737 -4.043 1.801 1.00 0.00 H new ATOM 66 N GLY A 8 -20.737 -1.488 1.350 1.00 0.00 N ATOM 67 CA GLY A 8 -21.019 -0.063 1.397 1.00 0.00 C ATOM 68 C GLY A 8 -19.880 0.743 0.770 1.00 0.00 C ATOM 69 O GLY A 8 -19.097 0.210 -0.014 1.00 0.00 O ATOM 0 H GLY A 8 -19.847 -1.760 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -21.950 0.145 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -21.163 0.249 2.431 1.00 0.00 H new ATOM 73 N SER A 9 -19.824 2.014 1.140 1.00 0.00 N ATOM 74 CA SER A 9 -18.794 2.899 0.623 1.00 0.00 C ATOM 75 C SER A 9 -18.076 3.598 1.780 1.00 0.00 C ATOM 76 O SER A 9 -18.717 4.212 2.632 1.00 0.00 O ATOM 77 CB SER A 9 -19.386 3.933 -0.336 1.00 0.00 C ATOM 78 OG SER A 9 -18.777 3.876 -1.624 1.00 0.00 O ATOM 0 H SER A 9 -20.475 2.452 1.792 1.00 0.00 H new ATOM 0 HA SER A 9 -18.075 2.298 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.458 3.764 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.257 4.931 0.082 1.00 0.00 H new ATOM 0 HG SER A 9 -19.183 4.550 -2.208 1.00 0.00 H new ATOM 84 N ALA A 10 -16.757 3.482 1.772 1.00 0.00 N ATOM 85 CA ALA A 10 -15.945 4.095 2.810 1.00 0.00 C ATOM 86 C ALA A 10 -14.514 4.268 2.298 1.00 0.00 C ATOM 87 O ALA A 10 -13.839 3.287 1.988 1.00 0.00 O ATOM 88 CB ALA A 10 -16.011 3.244 4.080 1.00 0.00 C ATOM 0 H ALA A 10 -16.229 2.973 1.063 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.327 5.085 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -15.402 3.704 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.044 3.177 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.634 2.244 3.868 1.00 0.00 H new ATOM 94 N ALA A 11 -14.094 5.522 2.223 1.00 0.00 N ATOM 95 CA ALA A 11 -12.755 5.836 1.754 1.00 0.00 C ATOM 96 C ALA A 11 -11.742 4.958 2.490 1.00 0.00 C ATOM 97 O ALA A 11 -11.027 4.173 1.868 1.00 0.00 O ATOM 98 CB ALA A 11 -12.483 7.329 1.948 1.00 0.00 C ATOM 0 H ALA A 11 -14.657 6.333 2.479 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.662 5.624 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.479 7.565 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.211 7.908 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.565 7.579 3.006 1.00 0.00 H new ATOM 104 N SER A 12 -11.712 5.119 3.805 1.00 0.00 N ATOM 105 CA SER A 12 -10.798 4.351 4.633 1.00 0.00 C ATOM 106 C SER A 12 -10.726 2.907 4.132 1.00 0.00 C ATOM 107 O SER A 12 -9.654 2.424 3.771 1.00 0.00 O ATOM 108 CB SER A 12 -11.226 4.382 6.101 1.00 0.00 C ATOM 109 OG SER A 12 -10.202 4.901 6.945 1.00 0.00 O ATOM 0 H SER A 12 -12.306 5.770 4.318 1.00 0.00 H new ATOM 0 HA SER A 12 -9.809 4.804 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.124 4.991 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.486 3.374 6.424 1.00 0.00 H new ATOM 0 HG SER A 12 -10.515 4.906 7.874 1.00 0.00 H new ATOM 115 N SER A 13 -11.882 2.258 4.126 1.00 0.00 N ATOM 116 CA SER A 13 -11.963 0.879 3.675 1.00 0.00 C ATOM 117 C SER A 13 -11.289 0.734 2.309 1.00 0.00 C ATOM 118 O SER A 13 -10.346 -0.042 2.158 1.00 0.00 O ATOM 119 CB SER A 13 -13.417 0.409 3.601 1.00 0.00 C ATOM 120 OG SER A 13 -13.810 -0.299 4.774 1.00 0.00 O ATOM 0 H SER A 13 -12.769 2.662 4.426 1.00 0.00 H new ATOM 0 HA SER A 13 -11.442 0.252 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.070 1.271 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.547 -0.233 2.730 1.00 0.00 H new ATOM 0 HG SER A 13 -14.745 -0.581 4.688 1.00 0.00 H new ATOM 126 N ALA A 14 -11.797 1.493 1.350 1.00 0.00 N ATOM 127 CA ALA A 14 -11.256 1.459 0.002 1.00 0.00 C ATOM 128 C ALA A 14 -9.728 1.412 0.072 1.00 0.00 C ATOM 129 O ALA A 14 -9.110 0.460 -0.402 1.00 0.00 O ATOM 130 CB ALA A 14 -11.767 2.668 -0.785 1.00 0.00 C ATOM 0 H ALA A 14 -12.578 2.136 1.480 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.590 0.564 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.361 2.642 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.856 2.639 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.449 3.585 -0.290 1.00 0.00 H new ATOM 136 N LEU A 15 -9.163 2.452 0.667 1.00 0.00 N ATOM 137 CA LEU A 15 -7.719 2.542 0.805 1.00 0.00 C ATOM 138 C LEU A 15 -7.173 1.198 1.293 1.00 0.00 C ATOM 139 O LEU A 15 -6.361 0.571 0.615 1.00 0.00 O ATOM 140 CB LEU A 15 -7.339 3.722 1.702 1.00 0.00 C ATOM 141 CG LEU A 15 -5.860 4.114 1.704 1.00 0.00 C ATOM 142 CD1 LEU A 15 -5.191 3.736 0.380 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.686 5.598 2.031 1.00 0.00 C ATOM 0 H LEU A 15 -9.679 3.240 1.059 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.256 2.743 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.924 4.589 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.633 3.485 2.724 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.358 3.551 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.140 4.025 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.267 2.659 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.689 4.254 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.625 5.850 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.205 6.198 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.103 5.805 3.017 1.00 0.00 H new ATOM 155 N LYS A 16 -7.642 0.795 2.465 1.00 0.00 N ATOM 156 CA LYS A 16 -7.211 -0.463 3.051 1.00 0.00 C ATOM 157 C LYS A 16 -7.183 -1.542 1.967 1.00 0.00 C ATOM 158 O LYS A 16 -6.143 -2.152 1.721 1.00 0.00 O ATOM 159 CB LYS A 16 -8.087 -0.821 4.253 1.00 0.00 C ATOM 160 CG LYS A 16 -7.292 -1.612 5.294 1.00 0.00 C ATOM 161 CD LYS A 16 -7.734 -1.248 6.713 1.00 0.00 C ATOM 162 CE LYS A 16 -6.858 -1.945 7.756 1.00 0.00 C ATOM 163 NZ LYS A 16 -6.610 -1.049 8.907 1.00 0.00 N ATOM 0 H LYS A 16 -8.316 1.317 3.024 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.197 -0.375 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.480 0.090 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.944 -1.408 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.431 -2.680 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.228 -1.407 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.678 -0.168 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.776 -1.534 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.345 -2.858 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.910 -2.239 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.014 -1.538 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.125 -0.189 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.516 -0.789 9.346 1.00 0.00 H new ATOM 177 N GLY A 17 -8.336 -1.745 1.348 1.00 0.00 N ATOM 178 CA GLY A 17 -8.457 -2.740 0.296 1.00 0.00 C ATOM 179 C GLY A 17 -7.205 -2.762 -0.584 1.00 0.00 C ATOM 180 O GLY A 17 -6.572 -3.804 -0.742 1.00 0.00 O ATOM 0 H GLY A 17 -9.196 -1.237 1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.613 -3.724 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.332 -2.523 -0.316 1.00 0.00 H new ATOM 184 N LEU A 18 -6.885 -1.599 -1.132 1.00 0.00 N ATOM 185 CA LEU A 18 -5.721 -1.472 -1.992 1.00 0.00 C ATOM 186 C LEU A 18 -4.460 -1.784 -1.184 1.00 0.00 C ATOM 187 O LEU A 18 -3.655 -2.625 -1.582 1.00 0.00 O ATOM 188 CB LEU A 18 -5.697 -0.096 -2.661 1.00 0.00 C ATOM 189 CG LEU A 18 -6.646 0.089 -3.847 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.855 1.573 -4.155 1.00 0.00 C ATOM 191 CD2 LEU A 18 -6.154 -0.687 -5.070 1.00 0.00 C ATOM 0 H LEU A 18 -7.412 -0.736 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.767 -2.196 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.936 0.656 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.680 0.104 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.618 -0.323 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.533 1.677 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.284 2.069 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.897 2.032 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.847 -0.538 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.165 -0.328 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.099 -1.749 -4.829 1.00 0.00 H new ATOM 203 N ILE A 19 -4.326 -1.090 -0.063 1.00 0.00 N ATOM 204 CA ILE A 19 -3.176 -1.283 0.804 1.00 0.00 C ATOM 205 C ILE A 19 -2.854 -2.776 0.892 1.00 0.00 C ATOM 206 O ILE A 19 -1.714 -3.182 0.671 1.00 0.00 O ATOM 207 CB ILE A 19 -3.415 -0.624 2.165 1.00 0.00 C ATOM 208 CG1 ILE A 19 -3.537 0.894 2.025 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.328 -1.022 3.165 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.754 1.555 3.388 1.00 0.00 C ATOM 0 H ILE A 19 -4.995 -0.393 0.265 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.297 -0.791 0.387 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.364 -0.988 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.635 1.294 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.368 1.136 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.521 -0.540 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.332 -2.104 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.355 -0.705 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.837 2.634 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.670 1.171 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.909 1.331 4.040 1.00 0.00 H new ATOM 222 N GLN A 20 -3.878 -3.552 1.214 1.00 0.00 N ATOM 223 CA GLN A 20 -3.718 -4.991 1.334 1.00 0.00 C ATOM 224 C GLN A 20 -3.071 -5.560 0.069 1.00 0.00 C ATOM 225 O GLN A 20 -2.165 -6.388 0.150 1.00 0.00 O ATOM 226 CB GLN A 20 -5.059 -5.671 1.616 1.00 0.00 C ATOM 227 CG GLN A 20 -5.423 -5.572 3.099 1.00 0.00 C ATOM 228 CD GLN A 20 -5.254 -6.923 3.796 1.00 0.00 C ATOM 229 OE1 GLN A 20 -5.011 -7.945 3.175 1.00 0.00 O ATOM 230 NE2 GLN A 20 -5.397 -6.872 5.118 1.00 0.00 N ATOM 0 H GLN A 20 -4.822 -3.211 1.396 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.060 -5.194 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.840 -5.206 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.009 -6.719 1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.791 -4.827 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.453 -5.232 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.600 -5.983 5.575 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.304 -7.722 5.674 1.00 0.00 H new ATOM 239 N GLN A 21 -3.561 -5.093 -1.069 1.00 0.00 N ATOM 240 CA GLN A 21 -3.041 -5.545 -2.349 1.00 0.00 C ATOM 241 C GLN A 21 -1.534 -5.295 -2.428 1.00 0.00 C ATOM 242 O GLN A 21 -0.778 -6.168 -2.852 1.00 0.00 O ATOM 243 CB GLN A 21 -3.772 -4.863 -3.508 1.00 0.00 C ATOM 244 CG GLN A 21 -5.272 -5.158 -3.460 1.00 0.00 C ATOM 245 CD GLN A 21 -5.695 -6.043 -4.634 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.073 -7.046 -4.945 1.00 0.00 O ATOM 247 NE2 GLN A 21 -6.786 -5.618 -5.266 1.00 0.00 N ATOM 0 H GLN A 21 -4.313 -4.406 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.216 -6.618 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.608 -3.786 -3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.360 -5.209 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.519 -5.652 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.831 -4.223 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.259 -4.770 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.150 -6.140 -6.063 1.00 0.00 H new ATOM 256 N PHE A 22 -1.142 -4.099 -2.013 1.00 0.00 N ATOM 257 CA PHE A 22 0.261 -3.723 -2.032 1.00 0.00 C ATOM 258 C PHE A 22 1.071 -4.580 -1.056 1.00 0.00 C ATOM 259 O PHE A 22 1.974 -5.308 -1.466 1.00 0.00 O ATOM 260 CB PHE A 22 0.339 -2.260 -1.592 1.00 0.00 C ATOM 261 CG PHE A 22 1.727 -1.635 -1.750 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.116 -1.139 -2.955 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.571 -1.577 -0.685 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.404 -0.559 -3.101 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.859 -0.998 -0.832 1.00 0.00 C ATOM 266 CZ PHE A 22 4.248 -0.501 -2.036 1.00 0.00 C ATOM 0 H PHE A 22 -1.772 -3.378 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 22 0.672 -3.870 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.378 -1.678 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.037 -2.189 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.446 -1.186 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.262 -1.971 0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.713 -0.164 -4.057 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.530 -0.952 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.228 -0.060 -2.147 1.00 0.00 H new ATOM 276 N THR A 23 0.719 -4.464 0.216 1.00 0.00 N ATOM 277 CA THR A 23 1.402 -5.219 1.253 1.00 0.00 C ATOM 278 C THR A 23 1.480 -6.699 0.872 1.00 0.00 C ATOM 279 O THR A 23 2.334 -7.429 1.373 1.00 0.00 O ATOM 280 CB THR A 23 0.674 -4.970 2.575 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.664 -5.386 2.319 1.00 0.00 O ATOM 282 CG2 THR A 23 0.545 -3.481 2.901 1.00 0.00 C ATOM 0 H THR A 23 -0.030 -3.859 0.552 1.00 0.00 H new ATOM 0 HA THR A 23 2.435 -4.890 1.366 1.00 0.00 H new ATOM 0 HB THR A 23 1.206 -5.474 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.149 -4.666 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.021 -3.360 3.849 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.538 -3.038 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.016 -2.983 2.110 1.00 0.00 H new ATOM 290 N THR A 24 0.577 -7.098 -0.012 1.00 0.00 N ATOM 291 CA THR A 24 0.532 -8.477 -0.466 1.00 0.00 C ATOM 292 C THR A 24 1.373 -8.649 -1.733 1.00 0.00 C ATOM 293 O THR A 24 2.164 -9.586 -1.836 1.00 0.00 O ATOM 294 CB THR A 24 -0.935 -8.867 -0.653 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.408 -9.085 0.673 1.00 0.00 O ATOM 296 CG2 THR A 24 -1.098 -10.227 -1.336 1.00 0.00 C ATOM 0 H THR A 24 -0.129 -6.490 -0.426 1.00 0.00 H new ATOM 0 HA THR A 24 0.970 -9.150 0.271 1.00 0.00 H new ATOM 0 HB THR A 24 -1.441 -8.103 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.839 -8.270 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.158 -10.455 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.631 -10.198 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.621 -10.998 -0.731 1.00 0.00 H new ATOM 304 N ILE A 25 1.173 -7.730 -2.666 1.00 0.00 N ATOM 305 CA ILE A 25 1.902 -7.768 -3.922 1.00 0.00 C ATOM 306 C ILE A 25 3.382 -7.481 -3.657 1.00 0.00 C ATOM 307 O ILE A 25 4.231 -8.349 -3.854 1.00 0.00 O ATOM 308 CB ILE A 25 1.266 -6.820 -4.941 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.094 -7.347 -5.404 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.211 -6.562 -6.115 1.00 0.00 C ATOM 311 CD1 ILE A 25 -0.964 -6.214 -5.952 1.00 0.00 C ATOM 0 H ILE A 25 0.516 -6.954 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 25 1.843 -8.762 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 25 1.091 -5.861 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.049 -8.105 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.603 -7.831 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.734 -5.885 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.133 -6.112 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.440 -7.505 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.925 -6.616 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.125 -5.469 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.463 -5.748 -6.801 1.00 0.00 H new ATOM 323 N THR A 26 3.645 -6.261 -3.213 1.00 0.00 N ATOM 324 CA THR A 26 5.006 -5.849 -2.918 1.00 0.00 C ATOM 325 C THR A 26 5.553 -6.631 -1.723 1.00 0.00 C ATOM 326 O THR A 26 6.567 -7.319 -1.838 1.00 0.00 O ATOM 327 CB THR A 26 5.006 -4.334 -2.704 1.00 0.00 C ATOM 328 OG1 THR A 26 4.386 -4.163 -1.433 1.00 0.00 O ATOM 329 CG2 THR A 26 4.074 -3.605 -3.674 1.00 0.00 C ATOM 0 H THR A 26 2.938 -5.544 -3.050 1.00 0.00 H new ATOM 0 HA THR A 26 5.676 -6.075 -3.748 1.00 0.00 H new ATOM 0 HB THR A 26 6.020 -3.952 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.451 -4.452 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.112 -2.533 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.391 -3.799 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.054 -3.963 -3.537 1.00 0.00 H new ATOM 337 N GLY A 27 4.859 -6.500 -0.602 1.00 0.00 N ATOM 338 CA GLY A 27 5.262 -7.186 0.613 1.00 0.00 C ATOM 339 C GLY A 27 5.643 -6.186 1.707 1.00 0.00 C ATOM 340 O GLY A 27 6.287 -6.550 2.689 1.00 0.00 O ATOM 0 H GLY A 27 4.019 -5.928 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.448 -7.821 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.108 -7.840 0.402 1.00 0.00 H new ATOM 344 N ALA A 28 5.230 -4.944 1.499 1.00 0.00 N ATOM 345 CA ALA A 28 5.520 -3.889 2.454 1.00 0.00 C ATOM 346 C ALA A 28 4.420 -3.853 3.517 1.00 0.00 C ATOM 347 O ALA A 28 3.420 -4.560 3.405 1.00 0.00 O ATOM 348 CB ALA A 28 5.662 -2.556 1.716 1.00 0.00 C ATOM 0 H ALA A 28 4.697 -4.645 0.683 1.00 0.00 H new ATOM 0 HA ALA A 28 6.464 -4.081 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.880 -1.764 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.475 -2.625 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.732 -2.328 1.195 1.00 0.00 H new ATOM 354 N SER A 29 4.642 -3.021 4.524 1.00 0.00 N ATOM 355 CA SER A 29 3.682 -2.883 5.606 1.00 0.00 C ATOM 356 C SER A 29 2.569 -1.915 5.199 1.00 0.00 C ATOM 357 O SER A 29 2.755 -1.090 4.305 1.00 0.00 O ATOM 358 CB SER A 29 4.362 -2.399 6.888 1.00 0.00 C ATOM 359 OG SER A 29 4.415 -3.419 7.882 1.00 0.00 O ATOM 0 H SER A 29 5.473 -2.436 4.613 1.00 0.00 H new ATOM 0 HA SER A 29 3.248 -3.863 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.373 -2.064 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.823 -1.537 7.281 1.00 0.00 H new ATOM 0 HG SER A 29 4.858 -3.071 8.684 1.00 0.00 H new ATOM 365 N GLU A 30 1.436 -2.048 5.873 1.00 0.00 N ATOM 366 CA GLU A 30 0.294 -1.196 5.592 1.00 0.00 C ATOM 367 C GLU A 30 0.738 0.263 5.463 1.00 0.00 C ATOM 368 O GLU A 30 0.630 0.856 4.391 1.00 0.00 O ATOM 369 CB GLU A 30 -0.782 -1.348 6.669 1.00 0.00 C ATOM 370 CG GLU A 30 -1.910 -2.266 6.192 1.00 0.00 C ATOM 371 CD GLU A 30 -2.178 -3.378 7.208 1.00 0.00 C ATOM 372 OE1 GLU A 30 -1.310 -4.270 7.316 1.00 0.00 O ATOM 373 OE2 GLU A 30 -3.246 -3.310 7.855 1.00 0.00 O ATOM 0 H GLU A 30 1.285 -2.733 6.613 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.142 -1.508 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.337 -1.754 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.188 -0.369 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.818 -1.683 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.645 -2.704 5.230 1.00 0.00 H new ATOM 380 N SER A 31 1.229 0.798 6.571 1.00 0.00 N ATOM 381 CA SER A 31 1.690 2.176 6.596 1.00 0.00 C ATOM 382 C SER A 31 2.425 2.505 5.295 1.00 0.00 C ATOM 383 O SER A 31 2.136 3.513 4.652 1.00 0.00 O ATOM 384 CB SER A 31 2.600 2.430 7.799 1.00 0.00 C ATOM 385 OG SER A 31 2.001 2.008 9.021 1.00 0.00 O ATOM 0 H SER A 31 1.318 0.302 7.458 1.00 0.00 H new ATOM 0 HA SER A 31 0.820 2.827 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.544 1.903 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.834 3.493 7.858 1.00 0.00 H new ATOM 0 HG SER A 31 2.614 2.186 9.764 1.00 0.00 H new ATOM 391 N VAL A 32 3.362 1.635 4.946 1.00 0.00 N ATOM 392 CA VAL A 32 4.140 1.821 3.733 1.00 0.00 C ATOM 393 C VAL A 32 3.204 1.801 2.523 1.00 0.00 C ATOM 394 O VAL A 32 3.178 2.747 1.738 1.00 0.00 O ATOM 395 CB VAL A 32 5.244 0.764 3.653 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.907 0.767 2.274 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.280 0.968 4.760 1.00 0.00 C ATOM 0 H VAL A 32 3.600 0.800 5.482 1.00 0.00 H new ATOM 0 HA VAL A 32 4.637 2.791 3.743 1.00 0.00 H new ATOM 0 HB VAL A 32 4.784 -0.213 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.688 0.007 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.160 0.550 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.346 1.746 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.053 0.204 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.733 1.954 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.793 0.892 5.732 1.00 0.00 H new ATOM 407 N GLY A 33 2.459 0.711 2.410 1.00 0.00 N ATOM 408 CA GLY A 33 1.524 0.556 1.309 1.00 0.00 C ATOM 409 C GLY A 33 0.570 1.750 1.226 1.00 0.00 C ATOM 410 O GLY A 33 0.012 2.030 0.166 1.00 0.00 O ATOM 0 H GLY A 33 2.484 -0.073 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.073 0.459 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.952 -0.363 1.440 1.00 0.00 H new ATOM 414 N LYS A 34 0.414 2.421 2.357 1.00 0.00 N ATOM 415 CA LYS A 34 -0.461 3.579 2.426 1.00 0.00 C ATOM 416 C LYS A 34 0.280 4.806 1.891 1.00 0.00 C ATOM 417 O LYS A 34 -0.297 5.619 1.171 1.00 0.00 O ATOM 418 CB LYS A 34 -1.003 3.757 3.845 1.00 0.00 C ATOM 419 CG LYS A 34 -2.039 4.882 3.899 1.00 0.00 C ATOM 420 CD LYS A 34 -2.238 5.375 5.334 1.00 0.00 C ATOM 421 CE LYS A 34 -3.473 4.733 5.968 1.00 0.00 C ATOM 422 NZ LYS A 34 -3.612 5.157 7.379 1.00 0.00 N ATOM 0 H LYS A 34 0.879 2.185 3.234 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.336 3.434 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.455 2.825 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.182 3.981 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.716 5.710 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.988 4.527 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.355 5.140 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.345 6.460 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.365 5.015 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.393 3.647 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.455 4.712 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.769 4.866 7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.710 6.191 7.423 1.00 0.00 H new ATOM 436 N HIS A 35 1.547 4.901 2.265 1.00 0.00 N ATOM 437 CA HIS A 35 2.373 6.015 1.832 1.00 0.00 C ATOM 438 C HIS A 35 2.644 5.901 0.331 1.00 0.00 C ATOM 439 O HIS A 35 2.705 6.910 -0.371 1.00 0.00 O ATOM 440 CB HIS A 35 3.657 6.094 2.661 1.00 0.00 C ATOM 441 CG HIS A 35 4.645 7.123 2.166 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.756 8.385 2.723 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.567 7.062 1.163 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.703 9.046 2.075 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.205 8.225 1.108 1.00 0.00 N ATOM 0 H HIS A 35 2.022 4.225 2.863 1.00 0.00 H new ATOM 0 HA HIS A 35 1.842 6.952 2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.397 6.323 3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.137 5.115 2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.748 6.212 0.522 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.022 10.058 2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.948 8.465 0.451 1.00 0.00 H new ATOM 453 N MET A 36 2.798 4.664 -0.118 1.00 0.00 N ATOM 454 CA MET A 36 3.060 4.405 -1.524 1.00 0.00 C ATOM 455 C MET A 36 1.812 4.663 -2.371 1.00 0.00 C ATOM 456 O MET A 36 1.912 5.144 -3.499 1.00 0.00 O ATOM 457 CB MET A 36 3.506 2.952 -1.701 1.00 0.00 C ATOM 458 CG MET A 36 4.590 2.584 -0.685 1.00 0.00 C ATOM 459 SD MET A 36 6.191 2.587 -1.473 1.00 0.00 S ATOM 460 CE MET A 36 6.203 4.242 -2.144 1.00 0.00 C ATOM 0 H MET A 36 2.746 3.830 0.467 1.00 0.00 H new ATOM 0 HA MET A 36 3.848 5.080 -1.858 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.650 2.288 -1.582 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.885 2.805 -2.712 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.581 3.294 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.385 1.600 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.208 4.489 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.511 4.299 -2.984 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.897 4.949 -1.373 1.00 0.00 H new ATOM 470 N LEU A 37 0.666 4.332 -1.794 1.00 0.00 N ATOM 471 CA LEU A 37 -0.600 4.522 -2.482 1.00 0.00 C ATOM 472 C LEU A 37 -0.941 6.013 -2.511 1.00 0.00 C ATOM 473 O LEU A 37 -1.234 6.566 -3.569 1.00 0.00 O ATOM 474 CB LEU A 37 -1.689 3.653 -1.850 1.00 0.00 C ATOM 475 CG LEU A 37 -1.774 2.211 -2.355 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.628 1.353 -1.419 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.281 2.165 -3.798 1.00 0.00 C ATOM 0 H LEU A 37 0.588 3.934 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.524 4.192 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.528 3.631 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.653 4.133 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.770 1.788 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.673 0.333 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.185 1.349 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.636 1.765 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.332 1.129 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.274 2.612 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.599 2.721 -4.441 1.00 0.00 H new ATOM 489 N GLU A 38 -0.892 6.621 -1.335 1.00 0.00 N ATOM 490 CA GLU A 38 -1.193 8.037 -1.211 1.00 0.00 C ATOM 491 C GLU A 38 -0.163 8.867 -1.980 1.00 0.00 C ATOM 492 O GLU A 38 -0.414 10.026 -2.308 1.00 0.00 O ATOM 493 CB GLU A 38 -1.251 8.459 0.258 1.00 0.00 C ATOM 494 CG GLU A 38 -2.696 8.513 0.757 1.00 0.00 C ATOM 495 CD GLU A 38 -3.366 9.829 0.355 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.615 10.800 0.121 1.00 0.00 O ATOM 497 OE2 GLU A 38 -4.614 9.834 0.291 1.00 0.00 O ATOM 0 H GLU A 38 -0.648 6.159 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.176 8.219 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.679 7.757 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.785 9.437 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.258 7.674 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.714 8.408 1.842 1.00 0.00 H new ATOM 504 N ALA A 39 0.975 8.242 -2.245 1.00 0.00 N ATOM 505 CA ALA A 39 2.044 8.909 -2.969 1.00 0.00 C ATOM 506 C ALA A 39 1.837 8.710 -4.472 1.00 0.00 C ATOM 507 O ALA A 39 2.628 9.194 -5.280 1.00 0.00 O ATOM 508 CB ALA A 39 3.395 8.375 -2.490 1.00 0.00 C ATOM 0 H ALA A 39 1.180 7.281 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 39 2.030 9.981 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.197 8.875 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.504 8.567 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.447 7.302 -2.673 1.00 0.00 H new ATOM 514 N CYS A 40 0.770 7.998 -4.801 1.00 0.00 N ATOM 515 CA CYS A 40 0.449 7.729 -6.192 1.00 0.00 C ATOM 516 C CYS A 40 -1.050 7.959 -6.393 1.00 0.00 C ATOM 517 O CYS A 40 -1.637 7.453 -7.348 1.00 0.00 O ATOM 518 CB CYS A 40 0.871 6.318 -6.608 1.00 0.00 C ATOM 519 SG CYS A 40 2.595 6.335 -7.220 1.00 0.00 S ATOM 0 H CYS A 40 0.116 7.599 -4.128 1.00 0.00 H new ATOM 0 HA CYS A 40 1.009 8.409 -6.834 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.784 5.639 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.204 5.944 -7.385 1.00 0.00 H new ATOM 0 HG CYS A 40 2.594 6.393 -8.519 1.00 0.00 H new ATOM 525 N ASN A 41 -1.627 8.722 -5.477 1.00 0.00 N ATOM 526 CA ASN A 41 -3.047 9.026 -5.541 1.00 0.00 C ATOM 527 C ASN A 41 -3.847 7.727 -5.423 1.00 0.00 C ATOM 528 O ASN A 41 -4.683 7.429 -6.275 1.00 0.00 O ATOM 529 CB ASN A 41 -3.409 9.685 -6.873 1.00 0.00 C ATOM 530 CG ASN A 41 -4.866 10.152 -6.875 1.00 0.00 C ATOM 531 OD1 ASN A 41 -5.559 10.114 -5.871 1.00 0.00 O ATOM 532 ND2 ASN A 41 -5.292 10.592 -8.056 1.00 0.00 N ATOM 0 H ASN A 41 -1.137 9.139 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.284 9.709 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.751 10.535 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.248 8.979 -7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.251 10.924 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.660 10.597 -8.857 1.00 0.00 H new ATOM 539 N ASN A 42 -3.562 6.988 -4.361 1.00 0.00 N ATOM 540 CA ASN A 42 -4.245 5.728 -4.121 1.00 0.00 C ATOM 541 C ASN A 42 -4.281 4.918 -5.418 1.00 0.00 C ATOM 542 O ASN A 42 -5.352 4.670 -5.970 1.00 0.00 O ATOM 543 CB ASN A 42 -5.688 5.961 -3.669 1.00 0.00 C ATOM 544 CG ASN A 42 -5.768 7.107 -2.659 1.00 0.00 C ATOM 545 OD1 ASN A 42 -4.776 7.548 -2.101 1.00 0.00 O ATOM 546 ND2 ASN A 42 -7.000 7.564 -2.455 1.00 0.00 N ATOM 0 H ASN A 42 -2.867 7.238 -3.657 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.704 5.195 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.311 6.189 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.085 5.049 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.158 8.329 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.787 7.150 -2.955 1.00 0.00 H new ATOM 553 N ASN A 43 -3.098 4.527 -5.868 1.00 0.00 N ATOM 554 CA ASN A 43 -2.980 3.750 -7.090 1.00 0.00 C ATOM 555 C ASN A 43 -1.998 2.599 -6.865 1.00 0.00 C ATOM 556 O ASN A 43 -0.802 2.740 -7.115 1.00 0.00 O ATOM 557 CB ASN A 43 -2.448 4.608 -8.240 1.00 0.00 C ATOM 558 CG ASN A 43 -3.053 4.171 -9.575 1.00 0.00 C ATOM 559 OD1 ASN A 43 -2.984 2.861 -9.798 1.00 0.00 O flip ATOM 560 ND2 ASN A 43 -3.549 4.969 -10.352 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.212 4.734 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.971 3.376 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.684 5.656 -8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.362 4.529 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.570 5.962 -10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.943 4.644 -11.235 1.00 0.00 H new ATOM 567 N LEU A 44 -2.539 1.484 -6.395 1.00 0.00 N ATOM 568 CA LEU A 44 -1.725 0.310 -6.133 1.00 0.00 C ATOM 569 C LEU A 44 -0.813 0.049 -7.333 1.00 0.00 C ATOM 570 O LEU A 44 0.396 -0.117 -7.174 1.00 0.00 O ATOM 571 CB LEU A 44 -2.609 -0.883 -5.762 1.00 0.00 C ATOM 572 CG LEU A 44 -1.928 -2.253 -5.778 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.187 -2.512 -4.465 1.00 0.00 C ATOM 574 CD2 LEU A 44 -2.934 -3.361 -6.096 1.00 0.00 C ATOM 0 H LEU A 44 -3.531 1.369 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.079 0.479 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.015 -0.713 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.454 -0.911 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.183 -2.255 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.712 -3.492 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.426 -1.745 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.894 -2.483 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.424 -4.325 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.718 -3.369 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.377 -3.180 -7.075 1.00 0.00 H new ATOM 586 N GLU A 45 -1.426 0.022 -8.507 1.00 0.00 N ATOM 587 CA GLU A 45 -0.683 -0.216 -9.733 1.00 0.00 C ATOM 588 C GLU A 45 0.589 0.634 -9.757 1.00 0.00 C ATOM 589 O GLU A 45 1.694 0.102 -9.850 1.00 0.00 O ATOM 590 CB GLU A 45 -1.551 0.063 -10.962 1.00 0.00 C ATOM 591 CG GLU A 45 -2.342 -1.183 -11.368 1.00 0.00 C ATOM 592 CD GLU A 45 -1.958 -1.642 -12.776 1.00 0.00 C ATOM 593 OE1 GLU A 45 -0.995 -2.433 -12.871 1.00 0.00 O ATOM 594 OE2 GLU A 45 -2.636 -1.192 -13.725 1.00 0.00 O ATOM 0 H GLU A 45 -2.428 0.161 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.395 -1.267 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.239 0.881 -10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.921 0.385 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.153 -1.986 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.410 -0.968 -11.330 1.00 0.00 H new ATOM 601 N MET A 46 0.391 1.941 -9.671 1.00 0.00 N ATOM 602 CA MET A 46 1.508 2.870 -9.681 1.00 0.00 C ATOM 603 C MET A 46 2.419 2.645 -8.472 1.00 0.00 C ATOM 604 O MET A 46 3.630 2.494 -8.622 1.00 0.00 O ATOM 605 CB MET A 46 0.979 4.306 -9.663 1.00 0.00 C ATOM 606 CG MET A 46 1.663 5.156 -10.735 1.00 0.00 C ATOM 607 SD MET A 46 1.644 6.875 -10.256 1.00 0.00 S ATOM 608 CE MET A 46 -0.113 7.186 -10.289 1.00 0.00 C ATOM 0 H MET A 46 -0.527 2.379 -9.594 1.00 0.00 H new ATOM 0 HA MET A 46 2.090 2.700 -10.587 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.098 4.303 -9.829 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.149 4.747 -8.681 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.691 4.821 -10.876 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.153 5.031 -11.690 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.297 8.249 -10.135 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.518 6.884 -11.255 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.598 6.615 -9.497 1.00 0.00 H new ATOM 618 N ALA A 47 1.800 2.631 -7.300 1.00 0.00 N ATOM 619 CA ALA A 47 2.540 2.428 -6.066 1.00 0.00 C ATOM 620 C ALA A 47 3.481 1.234 -6.232 1.00 0.00 C ATOM 621 O ALA A 47 4.683 1.349 -5.997 1.00 0.00 O ATOM 622 CB ALA A 47 1.558 2.241 -4.908 1.00 0.00 C ATOM 0 H ALA A 47 0.795 2.757 -7.179 1.00 0.00 H new ATOM 0 HA ALA A 47 3.152 3.300 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.112 2.089 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.932 3.129 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.929 1.372 -5.101 1.00 0.00 H new ATOM 628 N VAL A 48 2.899 0.114 -6.635 1.00 0.00 N ATOM 629 CA VAL A 48 3.671 -1.101 -6.834 1.00 0.00 C ATOM 630 C VAL A 48 4.833 -0.811 -7.786 1.00 0.00 C ATOM 631 O VAL A 48 5.994 -1.024 -7.438 1.00 0.00 O ATOM 632 CB VAL A 48 2.759 -2.225 -7.330 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.578 -3.428 -7.801 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.756 -2.634 -6.249 1.00 0.00 C ATOM 0 H VAL A 48 1.902 0.022 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 48 4.099 -1.440 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 48 2.196 -1.848 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.906 -4.212 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.234 -3.125 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.179 -3.805 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.120 -3.434 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.293 -2.983 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.139 -1.776 -5.982 1.00 0.00 H new ATOM 644 N THR A 49 4.481 -0.329 -8.969 1.00 0.00 N ATOM 645 CA THR A 49 5.480 -0.007 -9.974 1.00 0.00 C ATOM 646 C THR A 49 6.522 0.955 -9.400 1.00 0.00 C ATOM 647 O THR A 49 7.705 0.863 -9.728 1.00 0.00 O ATOM 648 CB THR A 49 4.755 0.544 -11.203 1.00 0.00 C ATOM 649 OG1 THR A 49 3.979 -0.556 -11.670 1.00 0.00 O ATOM 650 CG2 THR A 49 5.710 0.845 -12.360 1.00 0.00 C ATOM 0 H THR A 49 3.517 -0.154 -9.254 1.00 0.00 H new ATOM 0 HA THR A 49 6.035 -0.894 -10.278 1.00 0.00 H new ATOM 0 HB THR A 49 4.218 1.452 -10.931 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.119 -0.573 -11.200 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.144 1.233 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.444 1.586 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.223 -0.070 -12.656 1.00 0.00 H new ATOM 658 N MET A 50 6.046 1.857 -8.555 1.00 0.00 N ATOM 659 CA MET A 50 6.922 2.836 -7.933 1.00 0.00 C ATOM 660 C MET A 50 7.829 2.177 -6.892 1.00 0.00 C ATOM 661 O MET A 50 9.051 2.288 -6.969 1.00 0.00 O ATOM 662 CB MET A 50 6.079 3.922 -7.262 1.00 0.00 C ATOM 663 CG MET A 50 5.292 4.725 -8.299 1.00 0.00 C ATOM 664 SD MET A 50 5.658 6.464 -8.131 1.00 0.00 S ATOM 665 CE MET A 50 5.523 6.639 -6.359 1.00 0.00 C ATOM 0 H MET A 50 5.065 1.931 -8.286 1.00 0.00 H new ATOM 0 HA MET A 50 7.550 3.278 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.390 3.465 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.726 4.590 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.547 4.387 -9.303 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.223 4.556 -8.168 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.012 7.572 -6.123 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.955 5.802 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.520 6.650 -5.917 1.00 0.00 H new ATOM 675 N PHE A 51 7.195 1.505 -5.942 1.00 0.00 N ATOM 676 CA PHE A 51 7.929 0.828 -4.887 1.00 0.00 C ATOM 677 C PHE A 51 8.827 -0.270 -5.461 1.00 0.00 C ATOM 678 O PHE A 51 9.980 -0.410 -5.054 1.00 0.00 O ATOM 679 CB PHE A 51 6.893 0.190 -3.959 1.00 0.00 C ATOM 680 CG PHE A 51 7.496 -0.712 -2.880 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.107 -0.161 -1.797 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.421 -2.064 -3.004 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.666 -0.998 -0.795 1.00 0.00 C ATOM 684 CE2 PHE A 51 7.980 -2.901 -2.002 1.00 0.00 C ATOM 685 CZ PHE A 51 8.591 -2.350 -0.919 1.00 0.00 C ATOM 0 H PHE A 51 6.181 1.415 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 51 8.564 1.540 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.316 0.980 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.195 -0.394 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.167 0.913 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.936 -2.501 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.151 -0.561 0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.920 -3.975 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.017 -2.986 -0.157 1.00 0.00 H new ATOM 695 N LEU A 52 8.265 -1.020 -6.397 1.00 0.00 N ATOM 696 CA LEU A 52 9.000 -2.101 -7.031 1.00 0.00 C ATOM 697 C LEU A 52 10.223 -1.527 -7.749 1.00 0.00 C ATOM 698 O LEU A 52 11.348 -1.967 -7.516 1.00 0.00 O ATOM 699 CB LEU A 52 8.078 -2.915 -7.941 1.00 0.00 C ATOM 700 CG LEU A 52 7.134 -3.893 -7.238 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.386 -4.758 -8.254 1.00 0.00 C ATOM 702 CD2 LEU A 52 7.887 -4.738 -6.209 1.00 0.00 C ATOM 0 H LEU A 52 7.309 -0.900 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 52 9.369 -2.802 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.478 -2.222 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.696 -3.477 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 52 6.386 -3.316 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.722 -5.444 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.799 -4.119 -8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.103 -5.328 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.193 -5.424 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.671 -5.307 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.335 -4.085 -5.460 1.00 0.00 H new ATOM 714 N ASP A 53 9.962 -0.554 -8.609 1.00 0.00 N ATOM 715 CA ASP A 53 11.028 0.085 -9.363 1.00 0.00 C ATOM 716 C ASP A 53 12.112 0.566 -8.397 1.00 0.00 C ATOM 717 O ASP A 53 13.299 0.332 -8.624 1.00 0.00 O ATOM 718 CB ASP A 53 10.506 1.300 -10.132 1.00 0.00 C ATOM 719 CG ASP A 53 11.569 2.338 -10.498 1.00 0.00 C ATOM 720 OD1 ASP A 53 12.342 2.053 -11.437 1.00 0.00 O ATOM 721 OD2 ASP A 53 11.584 3.395 -9.829 1.00 0.00 O ATOM 0 H ASP A 53 9.028 -0.192 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 53 11.427 -0.644 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.027 0.953 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.735 1.786 -9.534 1.00 0.00 H new ATOM 726 N GLY A 54 11.667 1.229 -7.340 1.00 0.00 N ATOM 727 CA GLY A 54 12.585 1.745 -6.339 1.00 0.00 C ATOM 728 C GLY A 54 13.557 0.659 -5.874 1.00 0.00 C ATOM 729 O GLY A 54 14.766 0.780 -6.064 1.00 0.00 O ATOM 0 H GLY A 54 10.682 1.421 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.143 2.585 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.023 2.124 -5.486 1.00 0.00 H new ATOM 733 N GLY A 55 12.991 -0.379 -5.275 1.00 0.00 N ATOM 734 CA GLY A 55 13.793 -1.486 -4.782 1.00 0.00 C ATOM 735 C GLY A 55 12.985 -2.786 -4.771 1.00 0.00 C ATOM 736 O GLY A 55 12.394 -3.145 -3.754 1.00 0.00 O ATOM 0 H GLY A 55 11.988 -0.477 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.676 -1.608 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.146 -1.264 -3.775 1.00 0.00 H new ATOM 740 N GLY A 56 12.986 -3.454 -5.915 1.00 0.00 N ATOM 741 CA GLY A 56 12.260 -4.706 -6.051 1.00 0.00 C ATOM 742 C GLY A 56 13.135 -5.894 -5.644 1.00 0.00 C ATOM 743 O GLY A 56 12.896 -6.522 -4.614 1.00 0.00 O ATOM 0 H GLY A 56 13.478 -3.152 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.364 -4.680 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.930 -4.829 -7.083 1.00 0.00 H new ATOM 747 N SER A 57 14.131 -6.165 -6.474 1.00 0.00 N ATOM 748 CA SER A 57 15.043 -7.266 -6.214 1.00 0.00 C ATOM 749 C SER A 57 14.278 -8.591 -6.215 1.00 0.00 C ATOM 750 O SER A 57 13.183 -8.680 -5.662 1.00 0.00 O ATOM 751 CB SER A 57 15.772 -7.075 -4.882 1.00 0.00 C ATOM 752 OG SER A 57 16.637 -8.167 -4.585 1.00 0.00 O ATOM 0 H SER A 57 14.327 -5.641 -7.327 1.00 0.00 H new ATOM 0 HA SER A 57 15.791 -7.285 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.351 -6.152 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.041 -6.964 -4.081 1.00 0.00 H new ATOM 0 HG SER A 57 17.085 -8.006 -3.728 1.00 0.00 H new ATOM 758 N GLY A 58 14.885 -9.588 -6.842 1.00 0.00 N ATOM 759 CA GLY A 58 14.275 -10.904 -6.922 1.00 0.00 C ATOM 760 C GLY A 58 15.092 -11.936 -6.143 1.00 0.00 C ATOM 761 O GLY A 58 16.279 -11.732 -5.891 1.00 0.00 O ATOM 0 H GLY A 58 15.793 -9.511 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.261 -10.863 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.197 -11.210 -7.965 1.00 0.00 H new ATOM 765 N PRO A 59 14.408 -13.052 -5.774 1.00 0.00 N ATOM 766 CA PRO A 59 15.057 -14.116 -5.028 1.00 0.00 C ATOM 767 C PRO A 59 15.976 -14.938 -5.935 1.00 0.00 C ATOM 768 O PRO A 59 17.178 -15.028 -5.689 1.00 0.00 O ATOM 769 CB PRO A 59 13.920 -14.934 -4.437 1.00 0.00 C ATOM 770 CG PRO A 59 12.685 -14.577 -5.248 1.00 0.00 C ATOM 771 CD PRO A 59 13.002 -13.328 -6.055 1.00 0.00 C ATOM 0 HA PRO A 59 15.710 -13.740 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.133 -16.001 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.776 -14.699 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.412 -15.399 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.834 -14.401 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.836 -13.492 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.367 -12.493 -5.758 1.00 0.00 H new ATOM 779 N SER A 60 15.375 -15.517 -6.964 1.00 0.00 N ATOM 780 CA SER A 60 16.125 -16.329 -7.908 1.00 0.00 C ATOM 781 C SER A 60 16.520 -15.487 -9.123 1.00 0.00 C ATOM 782 O SER A 60 15.710 -15.270 -10.023 1.00 0.00 O ATOM 783 CB SER A 60 15.314 -17.549 -8.350 1.00 0.00 C ATOM 784 OG SER A 60 14.094 -17.179 -8.984 1.00 0.00 O ATOM 0 H SER A 60 14.378 -15.440 -7.165 1.00 0.00 H new ATOM 0 HA SER A 60 17.027 -16.686 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.910 -18.151 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.097 -18.173 -7.483 1.00 0.00 H new ATOM 0 HG SER A 60 14.242 -16.386 -9.540 1.00 0.00 H new ATOM 790 N SER A 61 17.766 -15.036 -9.109 1.00 0.00 N ATOM 791 CA SER A 61 18.279 -14.223 -10.199 1.00 0.00 C ATOM 792 C SER A 61 17.989 -14.901 -11.539 1.00 0.00 C ATOM 793 O SER A 61 18.491 -15.991 -11.809 1.00 0.00 O ATOM 794 CB SER A 61 19.781 -13.977 -10.042 1.00 0.00 C ATOM 795 OG SER A 61 20.085 -12.590 -9.920 1.00 0.00 O ATOM 0 H SER A 61 18.435 -15.218 -8.361 1.00 0.00 H new ATOM 0 HA SER A 61 17.775 -13.257 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.145 -14.507 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 61 20.308 -14.389 -10.903 1.00 0.00 H new ATOM 0 HG SER A 61 21.053 -12.475 -9.820 1.00 0.00 H new ATOM 801 N GLY A 62 17.181 -14.226 -12.345 1.00 0.00 N ATOM 802 CA GLY A 62 16.819 -14.750 -13.650 1.00 0.00 C ATOM 803 C GLY A 62 17.504 -13.961 -14.767 1.00 0.00 C ATOM 804 O GLY A 62 17.688 -14.471 -15.871 1.00 0.00 O ATOM 0 H GLY A 62 16.768 -13.321 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.102 -15.800 -13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.737 -14.703 -13.777 1.00 0.00 H new TER 808 GLY A 62